AB00679770-01
TL;DR: AB00679770-01 (CAS 898422-69-0) is a chemical compound with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,3-benzodioxol-5-yl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide
Also Known As: AB00679770-01, F2565-0339, 9-(1,3-benzodioxol-5-yl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide, 9-(benzo[d][1,3]dioxol-5-yl)-2-isobutyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
| Molecular Formula | C17H17N5O4 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 1.1349 |
| Topological Polar Surface Area | 125.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.12805 |
| Heavy Atoms | 26 |
| Complexity | 1082.6821 |
Chemical Identifiers
| CAS Number | 898422-69-0 |
|---|---|
| SMILES | CC(C)CC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N |
Product Overview
AB00679770-01 (CAS 898422-69-0), with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol. IUPAC: 9-(1,3-benzodioxol-5-yl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide.
Chemical Property Profile of AB00679770-01
Property Insights of AB00679770-01
The XLogP value of 1.1349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00679770-01. The TPSA of 125.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00679770-01. Following Lipinski's Rule of Five, AB00679770-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00679770-01?
The CAS number of AB00679770-01 is 898422-69-0.
What is the molecular formula of AB00679770-01?
The molecular formula of AB00679770-01 is C17H17N5O4.
What is the molecular weight of AB00679770-01?
The molecular weight of AB00679770-01 is 355.13 g/mol.
Where can I buy AB00679770-01?
You can request a quote for AB00679770-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00679770-01?
Yes, KEHONG BIO provides custom synthesis services for AB00679770-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.